2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]benzene-1,4-diol

C13H11NO3 — CID 136722434

IUPAC2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]benzene-1,4-diol
SMILESO/N=C(/c1ccccc1)c1cc(O)ccc1O
InChIInChI=1S/C13H11NO3/c15-10-6-7-12(16)11(8-10)13(14-17)9-4-2-1-3-5-9/h1-8,15-17H/b14-13-
InChIKeyJWGKUAYCNSMLSH-YPKPFQOOSA-N
MW229.24 g/mol
LogP2.32
Rot. Bonds2

About 2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]benzene-1,4-diol

2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]benzene-1,4-diol (PubChem CID 136722434) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]benzene-1,4-diol
PubChem CID136722434
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]benzene-1,4-diol
SMILESO/N=C(/c1ccccc1)c1cc(O)ccc1O
InChIInChI=1S/C13H11NO3/c15-10-6-7-12(16)11(8-10)13(14-17)9-4-2-1-3-5-9/h1-8,15-17H/b14-13-
InChIKeyJWGKUAYCNSMLSH-YPKPFQOOSA-N
XLogP2.32
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol
CID 137013229
4-fluoro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol
CID 138548283
2-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-4-methoxyphenol
CID 135881446
4-chloro-2-[N-[[(5-chloro-2-hydroxyphenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]phenol
CID 3627789
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,4-diol
CID 135589061
(NZ)-N-[(2-aminophenyl)-phenylmethylidene]hydroxylamine
CID 5376029
(NE)-N-[(2-methylphenyl)-phenylmethylidene]hydroxylamine
CID 12003652
5-butoxy-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol
CID 136848935
2-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine
CID 135460269
2-[(E)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine
CID 135407116
4-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol
CID 135881447
N-[(2-amino-5-bromophenyl)-phenylmethylidene]hydroxylamine
CID 555684

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]benzene-1,4-diol?
The IUPAC name of 2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]benzene-1,4-diol (CID 136722434) is 2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]benzene-1,4-diol.
What is the SMILES notation for 2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]benzene-1,4-diol?
The canonical SMILES for 2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]benzene-1,4-diol is O/N=C(/c1ccccc1)c1cc(O)ccc1O.
What is the InChIKey of 2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]benzene-1,4-diol?
The InChIKey is JWGKUAYCNSMLSH-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H11NO3/c15-10-6-7-12(16)11(8-10)13(14-17)9-4-2-1-3-5-9/h1-8,15-17H/b14-13-.
What are the key properties of 2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]benzene-1,4-diol?
2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]benzene-1,4-diol has a molecular weight of 229.24 g/mol, XLogP of 2.32, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]benzene-1,4-diol is sourced from PubChem (CID 136722434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).